2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide

C16H21Cl2NOS — CID 11917970

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@H]1[C@@H](NC(=O)CSc2cc(Cl)ccc2Cl)CCC[C@@H]1C
InChIInChI=1S/C16H21Cl2NOS/c1-10-4-3-5-14(11(10)2)19-16(20)9-21-15-8-12(17)6-7-13(15)18/h6-8,10-11,14H,3-5,9H2,1-2H3,(H,19,20)/t10-,11+,14-/m0/s1
InChIKeyWPEPFUFQOAHCAJ-WDMOLILDSA-N
MW346.32 g/mol
LogP5.03
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide (PubChem CID 11917970) has the molecular formula C16H21Cl2NOS and a molecular weight of 346.32 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
PubChem CID11917970
Molecular FormulaC16H21Cl2NOS
Molecular Weight346.32 g/mol
Exact Mass345.07
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
SMILESC[C@H]1[C@@H](NC(=O)CSc2cc(Cl)ccc2Cl)CCC[C@@H]1C
InChIInChI=1S/C16H21Cl2NOS/c1-10-4-3-5-14(11(10)2)19-16(20)9-21-15-8-12(17)6-7-13(15)18/h6-8,10-11,14H,3-5,9H2,1-2H3,(H,19,20)/t10-,11+,14-/m0/s1
InChIKeyWPEPFUFQOAHCAJ-WDMOLILDSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.32
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide with MolForge

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 3590753
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 43305214
2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4611668
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 112815574
2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2498816
2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
CID 43007916
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 7041193
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 2374570
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2435807
2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 18206629
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 79128505
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 11906066

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide (CID 11917970) is 2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide is C[C@H]1[C@@H](NC(=O)CSc2cc(Cl)ccc2Cl)CCC[C@@H]1C.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The InChIKey is WPEPFUFQOAHCAJ-WDMOLILDSA-N. The full InChI is InChI=1S/C16H21Cl2NOS/c1-10-4-3-5-14(11(10)2)19-16(20)9-21-15-8-12(17)6-7-13(15)18/h6-8,10-11,14H,3-5,9H2,1-2H3,(H,19,20)/t10-,11+,14-/m0/s1.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide has a molecular weight of 346.32 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 11917970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).